Geometry & MOs

Info

ID:

446396

PubChem CID:

135274657

Reduced:

N6O20C45H98 (1)

Stoich.:

A6B20C45D98 (1)

Weight, g/mol:

1838.356122

ΔHf, kcal/mol:

-623.63

Dipole, Da:

3.13

IP(EA), eV:

 -8.54(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[2,3-bis[[3-(1-fluoroperoxyethylcarbamothioyloxy)-2-(1-fluoroperoxyethylcarbamothioyloxymethyl)-2-methylpropanoyl]oxy]propoxy]-2-[3-[2-(2-fluorooxyethoxy)ethylcarbamothioyloxy]-2-[2-(2-fluorooxyethoxy)ethylcarbamothioyloxymethyl]-2-methylpropanoyl]oxypropyl] 3-[2-(2-fluorooxyethoxy)ethylcarbamothioyloxy]-2-[2-(2-fluorooxyethoxy)ethylcarbamothioyloxymethyl]-2-methylpropanoate

Drug info:

PubChemData

Smile

C(CN(CCCOCCO)CCN(CCN(CCCOCCO)CCCOCCO)CN(CCN(CCOCCOO)CCOCCOO)CCN(CCOCCOO)CCOCCOO)COCCO

DOS

IR

Vibrations